CID 482380

[(4r)-2-oxo-4-benzylazetidinyl]-n-benzamide

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c20-16-12-15(11-13-7-3-1-4-8-13)19(16)17(21)18-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)/t15-/m1/s1
InChIKey
YEBHXKQVWFOPMF-OAHLLOKOSA-N
Compound name
(2R)-2-benzyl-4-oxo-N-phenylazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 163.2
[M+Na]+ 303.11042 168.0
[M-H]- 279.11392 170.9
[M+NH4]+ 298.15502 170.6
[M+K]+ 319.08436 167.2
[M+H-H2O]+ 263.11846 148.2
[M+HCOO]- 325.11940 184.1
[M+CH3COO]- 339.13505 203.9
[M+Na-2H]- 301.09587 167.0
[M]+ 280.12065 170.1
[M]- 280.12175 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.